3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole

C16H14N2O — CID 818488

IUPAC3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H14N2O/c1-12-7-5-6-10-14(12)16-17-15(18-19-16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyTXVRFNQILNCHHL-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.64
Rot. Bonds3

About 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole

3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 818488) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID818488
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H14N2O/c1-12-7-5-6-10-14(12)16-17-15(18-19-16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyTXVRFNQILNCHHL-UHFFFAOYSA-N
XLogP3.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 818488) is 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(Cc2ccccc2)no1.
What is the InChIKey of 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is TXVRFNQILNCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-7-5-6-10-14(12)16-17-15(18-19-16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 818488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).